General Information of the Compound
| Compound ID |
CP0208881
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| Compound Name |
N-[1-[2-[4-[2-[2-[1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl]-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl]ethyl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C38H52N6O3S
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| Molecular Weight |
672.94
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| Canonical SMILES |
CC(=O)NC1CCN(C1)C(=O)CN1CCN(CCc2c([nH]c3sc(cc23)C(C)(C)C(=O)N2C3CCC2CC3)-c2cc(C)cc(C)c2)CC1
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| InChI |
InChI=1S/C38H52N6O3S/c1-24-18-25(2)20-27(19-24)35-31(11-12-41-14-16-42(17-15-41)23-34(46)43-13-10-28(22-43)39-26(3)45)32-21-33(48-36(32)40-35)38(4,5)37(47)44-29-6-7-30(44)9-8-29/h18-21,28-30,40H,6-17,22-23H2,1-5H3,(H,39,45)
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| InChIKey |
QCAGIUOTTHOACE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound